SCHEMBL4215525

SCHEMBL4215525

Cc1c(C)c(NCC(=O)N(C)C2CCN(CC(O)Nc3ccccc3)CC2)c(C)c(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 16/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ KCNH2 Q12809 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4210046 0.87 CCR5 (0.46) CCR5CYP2D6OPRK1
SCHEMBL4213345 0.85 CCR5 (0.41) CCR5CYP2D6OPRK1KCNH2
SCHEMBL4205766 0.84 CCR5 (0.44) CCR5CYP2D6OPRK1
SCHEMBL4215524 0.83 HTT (0.45) —
SCHEMBL4209657 0.82 KCNH2 (0.53) CCR5KCNH2
SCHEMBL13928769 0.81 CCR5 (0.41) CCR5KCNH2
SCHEMBL4207407 0.81 OPRM1 (0.50) CCR5OPRK1KCNH2
SCHEMBL4212217 0.80 POLB (0.44) CCR5
SCHEMBL13928748 0.79 CCR5 (0.38) CCR5KCNH2
SCHEMBL4208066 0.77 CCR5 (0.38) CCR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
US-6998401-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof SUNTORY LIMITED (JP) 2006-02-14 — — US disclosed
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1045693-B1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-06-30 — — EP disclosed
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2004-04-01 — — US disclosed
US-6559146-B1 Neuroprotective effects by inducing calbindin D28Kd, one of Ca2+-binding proteins SUNTORY LIMITED (JP) 2003-05-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof CAMK2A, CAMK2B, SLC1A2 CCR5 3820/4885CYP2D6 746/4885OPRK1 137/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A CCR5 3433/4885CYP2D6 1084/4885OPRK1 166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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